SCHEMBL6962628

SCHEMBL6962628

O=C1NC(=S)S/C1=C/c1ccc(C(=O)O)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MYC P01106 4/20 1.00
IL1RN P18510 1/20 1.00
ERAP1 Q9NZ08 1/20 1.00
NAT1 P18440 5/20 0.70
CA2 P00918 1/20 0.69
EPHX1 P07099 1/20 0.69
TDP1 Q9NUW8 1/20 0.67
CISD1 Q9NZ45 3/20 0.66
MAX P61244 3/20 0.66
PTP4A3 O75365 1/20 0.65
INSR P06213 1/20 0.64
IGF1R P08069 1/20 0.64
MMP3 P08254 1/20 0.62
MMP13 P45452 1/20 0.62
MAOA P21397 1/20 0.61
NPC1 O15118 1/20 0.61
RAB9A P51151 1/20 0.61
CRHBP P24387 1/20 0.61
CRHR2 Q13324 1/20 0.61

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6962632 1.00 MYC (1.00) MYCIL1RNERAP1NAT1CA2
SCHEMBL12961169 1.00 MYC (1.00) MYCIL1RNERAP1NAT1CA2
SCHEMBL5672232 0.87 MYC (0.77) MYCIL1RNERAP1TDP1CISD1
SCHEMBL212026 0.87 MYC (0.77) MYCIL1RNERAP1TDP1CISD1
SCHEMBL212025 0.87 MYC (0.77) MYCIL1RNERAP1TDP1CISD1
SCHEMBL24217870 0.87 MYC (0.76) MYCIL1RNERAP1NAT1CA2
SCHEMBL8173003 0.86 TDP1 (0.78) MYCIL1RNERAP1NAT1CA2
SCHEMBL8172998 0.86 TDP1 (0.78) MYCIL1RNERAP1NAT1CA2
SCHEMBL15708765 0.83 PIM1 (0.80) MYCIL1RNERAP1NAT1CA2
SCHEMBL8174880 0.83 NAT1 (1.00) MYCIL1RNERAP1NAT1CA2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0976748-B1 PYRROLIDINE DERIVATIVES HAVING PHOSPHOLIPASE A2 INHIBITORY ACTIVITY SHIONOGI & CO (JP) 2003-12-03 EP disclosed
EP-0848004-B1 PYRROLIDINE DERIVATIVES HAVING PHOSPHOLIPASE A2 INHIBITORY ACTIVITY SHIONOGI & CO (JP) 2003-04-02 EP disclosed
US-6147100-A ANTIINFLAMMATORY AGENTS SHIONOGI & CO., LTD. (JP) 2000-11-14 US disclosed
EP-0976748-A1 PYRROLIDINE DERIVATIVES HAVING PHOSPHOLIPASE A2 INHIBITORY ACTIVITY SHIONOGI & CO., LTD. (JP) 2000-02-02 EP disclosed
US-5955616-A PROSTAGLANDIN INHIBITORS SHIONOGI & CO., LTD. (JP) 1999-09-21 US disclosed
EP-0848004-A1 PYRROLIDINE DERIVATIVES HAVING PHOSPHOLIPASE A2 INHIBITORY ACTIVITY SHIONOGI & CO., LTD. (JP) 1998-06-17 EP disclosed